(E)-3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,4-dichlorophenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,4-dichlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3,4-dichlorophenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3,4-dichlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3,4-dichlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C20H17Cl2N3O MolecularWeight: 386.27448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C/C3=CC(=C(C=C3)Cl)Cl)/C#N

InChI

InChI=1S/C20H17Cl2N3O/c21-18-7-6-15(13-19(18)22)12-16(14-23)20(26)25-10-8-24(9-11-25)17-4-2-1-3-5-17/h1-7,12-13H,8-11H2/b16-12+